Geometry & MOs

Info

ID:

108017

PubChem CID:

50226936

Reduced:

N5O5C30H41 (1)

Stoich.:

A5B5C30D41 (1)

Weight, g/mol:

752.290067

ΔHf, kcal/mol:

-208.02

Dipole, Da:

4.92

IP(EA), eV:

 -8.76(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(morpholine-4-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)OC)C

DOS

IR

Vibrations